1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride

C14H24Cl2N4 — CID 67156560

IUPAC1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride
SMILESCl.Cl.c1cn(CCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C14H22N4.2ClH/c1(3-5-9-17-11-7-15-13-17)2-4-6-10-18-12-8-16-14-18;;/h7-8,11-14H,1-6,9-10H2;2*1H
InChIKeyPNUABQIYGKYIKH-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.96
Rot. Bonds9

About 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride

1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride (PubChem CID 67156560) has the molecular formula C14H24Cl2N4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride.

Molecular Properties

Compound Name1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride
PubChem CID67156560
Molecular FormulaC14H24Cl2N4
Molecular Weight319.28 g/mol
Exact Mass318.14
IUPAC Name1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride
SMILESCl.Cl.c1cn(CCCCCCCCn2ccnc2)cn1
InChIInChI=1S/C14H22N4.2ClH/c1(3-5-9-17-11-7-15-13-17)2-4-6-10-18-12-8-16-14-18;;/h7-8,11-14H,1-6,9-10H2;2*1H
InChIKeyPNUABQIYGKYIKH-UHFFFAOYSA-N
XLogP3.96
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride?
The IUPAC name of 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride (CID 67156560) is 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride.
What is the SMILES notation for 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride?
The canonical SMILES for 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride is Cl.Cl.c1cn(CCCCCCCCn2ccnc2)cn1.
What is the InChIKey of 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride?
The InChIKey is PNUABQIYGKYIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.2ClH/c1(3-5-9-17-11-7-15-13-17)2-4-6-10-18-12-8-16-14-18;;/h7-8,11-14H,1-6,9-10H2;2*1H.
What are the key properties of 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride?
1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.96, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-imidazol-1-yloctyl)imidazole;dihydrochloride is sourced from PubChem (CID 67156560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).